CAS RN: 90729-42-3
Carebastine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250819 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90729-42-3
- Purity/Analytical Methods: >99.0%
90729-42-3 / 2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
Basic Information
CAS
90729-42-3
Multi CAS
No
Molecular Formula
C32H37NO4
Molecular Weight
499.600000
Exact Mass
499.272259
InChI
InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKey
XGHOVGYJHWQGCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
145.94
TPSA
66.84
LogP / Solubility
WLOGP
6.28
MLOGP
5.56
XLogP3
3.6
Consensus LogP
5.15
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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